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1,1'-(1,6-Hexylidene)-2,2'-bis(trichloroacetyl-4,4'dinitrobis(pyrrole)
SpectraBase Compound ID Ke0MZl2clDC
InChI InChI=1S/C18H15Cl6N4O6/c19-17(20,21)15(29)13-7-11(27(31)32)9-25(13)5-3-1-2-4-6-26-10-12(28(33)34)8-14(26)16(30)18(22,23)24/h5,7-10H,1-4,6H2/q+1/b25-5+
InChIKey DAOOVMIAEVWWDH-VVAXDPKNSA-N
Mol Weight 596.1 g/mol
Molecular Formula C18H15Cl6N4O6
Exact Mass 592.912275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OmgQfJu21n
Name 1,1'-(1,6-Hexylidene)-2,2'-bis(trichloroacetyl-4,4'dinitrobis(pyrrole)
Alternate Name(s) 1,1'-(6-Hexylidene)-2,2'-bis(trichloroacetyl-4,4'dinitrobis(pyrrole)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15Cl6N4O6
InChI InChI=1S/C18H15Cl6N4O6/c19-17(20,21)15(29)13-7-11(27(31)32)9-25(13)5-3-1-2-4-6-26-10-12(28(33)34)8-14(26)16(30)18(22,23)24/h5,7-10H,1-4,6H2/q+1/b25-5+
InChIKey DAOOVMIAEVWWDH-VVAXDPKNSA-N
Molecular Weight 596.058 g/mol
SMILES c1(\[n+](cc(c1)N(=O)=O)=C\CCCCC[n]1c(cc(c1)N(=O)=O)C(C(Cl)(Cl)Cl)=O)C(C(Cl)(Cl)Cl)=O
SPLASH splash10-003r-0900640000-f81e670d241548468c03
Source of Spectrum C-116-7004-4
Wiley ID 1409564